Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8IW40
UPID:
CC103_HUMAN
Alternative names:
-
Alternative UPACC:
Q8IW40; A8K145; B8ZZU0
Background:
Coiled-coil domain-containing protein 103 plays a pivotal role in cilia motility, essential for the proper functioning of motile cilia. This protein acts as a dynein-attachment factor, facilitating the movement of cilia, which are critical for various physiological processes including respiratory function and reproductive success.
Therapeutic significance:
Mutations in this protein lead to Primary Ciliary Dyskinesia, a disorder marked by respiratory infections, reduced fertility, and sometimes situs inversus, known as Kartagener syndrome when combined. Understanding the role of Coiled-coil domain-containing protein 103 could open doors to potential therapeutic strategies for these conditions.